SCHEMBL16267147

SCHEMBL16267147

CCc1c2cc3ccccc3cc2cc2cc3ccccc3cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.46
CYP1A2 P05177 2/20 0.46
HTR2A P28223 1/20 0.41
NQO1 P15559 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 4/20 0.37
HIF1A Q16665 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP1B1 Q16678 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 2/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11135159 0.84 MAPT (0.40) CYP2A6CYP1A2HTR2ANQO1L3MBTL1
SCHEMBL23846030 0.84 CYP2A6 (0.38) CYP2A6CYP1A2HTR2ANQO1L3MBTL1
SCHEMBL6036924 0.84 CYP2A6 (0.45) CYP2A6CYP1A2HTR2ANQO1L3MBTL1
SCHEMBL168894 0.83 HTR2A (0.60) CYP2A6CYP1A2HTR2AL3MBTL1ALDH1A1
SCHEMBL30992096 0.83 HTR2A (0.60) CYP2A6CYP1A2HTR2AL3MBTL1ALDH1A1
SCHEMBL11430395 0.82 MAPT (0.39) CYP2A6CYP1A2HTR2ANQO1L3MBTL1
SCHEMBL16267118 0.82 ALDH1A1 (0.53) CYP2A6CYP1A2HTR2ANQO1L3MBTL1
SCHEMBL9137780 0.81 CYP1A2 (0.44) CYP2A6CYP1A2HTR2ANQO1L3MBTL1
Ammonia Solution, Strong SCHEMBL28993836 0.81 HTR2A (0.58) CYP2A6CYP1A2HTR2AL3MBTL1ALDH1A1
SCHEMBL5748818 0.80 CYP1A2 (0.42) CYP2A6CYP1A2HTR2ANQO1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067857-B2 Fluorine-containing aromatic compound and manufacturing method therefor ASAHI GLASS COMPANY, LIMITED (JP) 2015-06-30 US disclosed
US-20140357906-A1 FLUORINE-CONTAINING AROMATIC COMPOUND AND MANUFACTURING METHOD THEREFOR AGC Inc. (JP) 2014-12-04 US disclosed
CN-104114522-A Fluorine-containing aromatic compound and manufacturing method therefor ASAHI GLASS CO LTD 2014-10-22 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140357906-A1 FLUORINE-CONTAINING AROMATIC COMPOUND AND MANUFACTURING METHOD THEREFOR AFF1, AFF2, AFF4 CYP2A6 1987/4885CYP1A2 172/4885HTR2A 3343/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.